Project ID: plumID:19.060
Source: 2_ala2/simulation/plumed.dat
Originally used with PLUMED version: 2.5-mod
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# set up two variables for Phi and Psi dihedral angles 
phi: TORSION ATOMS=5,7,9,15
psi: TORSION ATOMS=7,9,15,17
# nn bias
NN_VES ...
LABEL=nn
ARG=phi 
NODES=48,24,12 
OPTIM=ADAM
ACTIVATION=RELU
GRID_MIN=-pi 
GRID_MAX=pi 
GRID_BIN=50 
TEMP=300.
AVE_STRIDE=500
PRINT_STRIDE=1000 
TARGET_STRIDE=1 
GAMMA=10
LRATE=0.001 
TAU_KL=10000
DECAY=1000
ADAPTIVE_DECAY=0.5
... NN_VES
# monitor the two variables and the metadynamics bias potential
PRINT STRIDE=500 ARG=* FILE=COLVAR FMT=%10.8f